SCHEMBL7686151

SCHEMBL7686151

CN(C)c1cc(Cl)c(Sc2nnnn2CC(=O)C(CC(=O)O)NC(=O)SCCc2ccccc2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
TSHR P16473 4/20 0.32
LMNA P02545 3/20 0.32
CASP1 P29466 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CTSA P10619 2/20 0.31
CASP3 P42574 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7683738 0.93 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7678219 0.91 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7677059 0.89 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7681897 0.87 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8173185 0.87 CASP1 (0.44) CASP1CASP3
Hydrochloric Acid SCHEMBL7691858 0.86 CASP1 (0.44) CASP1CASP3
SCHEMBL7680236 0.85 TP53 (0.33) MEN1KMT2ACASP1CTSACASP3
SCHEMBL7675885 0.85 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7682128 0.84 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8171557 0.84 ALDH1A1 (0.35) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed